5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole

C11H17ClN2O — CID 131071191

IUPAC5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCC1CCCCC1c1noc(CCCl)n1
InChIInChI=1S/C11H17ClN2O/c1-8-4-2-3-5-9(8)11-13-10(6-7-12)15-14-11/h8-9H,2-7H2,1H3
InChIKeyPDSPDNQYQBZIFN-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.14
Rot. Bonds3

About 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole

5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 131071191) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID131071191
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCC1CCCCC1c1noc(CCCl)n1
InChIInChI=1S/C11H17ClN2O/c1-8-4-2-3-5-9(8)11-13-10(6-7-12)15-14-11/h8-9H,2-7H2,1H3
InChIKeyPDSPDNQYQBZIFN-UHFFFAOYSA-N
XLogP3.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 126993675
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
5-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65422093
5-(2-chloroethyl)-N-methyl-1,2,4-oxadiazol-3-amine
CID 141451322
3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 119043582
4,6-dichloro-2-(2-methylcyclohexyl)pyrimidine
CID 130805079
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole (CID 131071191) is 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole is CC1CCCCC1c1noc(CCCl)n1.
What is the InChIKey of 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is PDSPDNQYQBZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8-4-2-3-5-9(8)11-13-10(6-7-12)15-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole?
5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 228.72 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-(2-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131071191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).